Catalog Number:
AG00G3R5
Chemical Name:
Ingenol-3,4,5,20-Diacetonide
CAS Number:
77573-44-5
Molecular Formula:
C26H36O5
Molecular Weight:
428.5610
MDL Number:
MFCD28411513
IUPAC Name:
3,6,6,11,11,18,18,21-octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.01,8.04,8.09,14.017,19]docosa-2,14-dien-22-one
InChI:
InChI=1S/C26H36O5/c1-13-11-25-14(2)9-17-18(22(17,3)4)16(19(25)27)10-15-12-28-23(5,6)30-21(15)26(25)20(13)29-24(7,8)31-26/h10-11,14,16-18,20-21H,9,12H2,1-8H3
InChI Key:
JOKBBQPBIIZMJV-UHFFFAOYSA-N
SMILES:
CC1=C[C@]23C4(C1OC(O4)(C)C)C1OC(C)(C)OCC1=C[C@@H](C3=O)[C@@H]1[C@H](CC2C)C1(C)C
